[ CAS No. 41717-32-2 ] {[proInfo.proName]}

Name: 41717-32-2|1-Benzofuran-2-carbonitrile|95%
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Quality Control of [ 41717-32-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 41717-32-2 ]

Product Details of [ 41717-32-2 ]

CAS No. :	41717-32-2	MDL No. :	MFCD01659779
Formula :	C₉H₅NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZQGAXHXHVKVERC-UHFFFAOYSA-N
M.W :	143.14	Pubchem ID :	38950
Synonyms :

Calculated chemistry of [ 41717-32-2 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	40.93
TPSA :	36.93 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.33 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.88
Log Po/w (XLOGP3) :	2.6
Log Po/w (WLOGP) :	2.3
Log Po/w (MLOGP) :	0.88
Log Po/w (SILICOS-IT) :	2.38
Consensus Log Po/w :	2.01

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.97
Solubility :	0.153 mg/ml ; 0.00107 mol/l
Class :	Soluble
Log S (Ali) :	-3.02
Solubility :	0.135 mg/ml ; 0.000945 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.35
Solubility :	0.0642 mg/ml ; 0.000449 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.54

Safety of [ 41717-32-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280	UN#:	N/A
Hazard Statements:	H302-H312-H332	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 41717-32-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 41717-32-2 ]

[ 41717-32-2 ] Synthesis Path-Downstream 1~88

1
[ 41717-32-2 ]
[ 925-90-6 ]
[ 91344-52-4 ]

Reference： [1]Annales de Chimie (Cachan, France),1942,vol. <11> 17,p. 335,346

2
[ 41717-32-2 ]
[ 65695-07-0 ]

Reference： [1]European Journal of Medicinal Chemistry,1982,vol. 17,p. 577 - 581
[2]Bollettino Scientifico della Facolta di Chimica Industriale di Bologna,1957,vol. 15,p. 51
Chem.Abstr.,1957
[3]Pharmaceutical Chemistry Journal,1984,vol. 18,p. 750 - 754
Khimiko-Farmatsevticheskii Zhurnal,1984,vol. 18,p. 1309 - 1313
[4]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 3128 - 3135

3
[ 41717-32-2 ]
[ 1875-48-5 ]
[ 134965-37-0 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1991,p. 1344 - 1346

4
[ 41717-32-2 ]
[ 75-36-5 ]
[ 91521-13-0 ]
[ 91521-14-1 ]
[ 91521-12-9 ]

Reference： [1]Journal of Heterocyclic Chemistry,1984,vol. 21,p. 177 - 180

5
[ 152842-89-2 ]
[ 41717-32-2 ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1993,p. 959 - 960

6
[ 197314-84-4 ]
[ 41717-32-2 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1997,p. 2483 - 2493

7
[ 41717-32-2 ]
[ 37586-57-5 ]
[ 197971-78-1 ]

Reference： [1]Journal of Natural Products,1997,vol. 60,p. 1214 - 1215

8
[ 271-89-6 ]
[ 19158-51-1 ]
[ 41717-32-2 ]

Reference： [1]Heterocycles,1997,vol. 46,p. 443 - 450

Yield	Reaction Conditions	Operation in experiment
99%		General procedure: With respect to 2 mmol of each alcohol represented by the general formula (1), 4 ml of CH 2 Cl 2 as a solvent, 0.05 equivalent of TEMPO as an N-nitrosyl compound, (A) t-BuOCl, (B) I 2 or (C ) N, N'-diiodo-5,5-dimethylhydantoin (DIH) were mixed in a predetermined amount and stirred for a predetermined time at room temperature.Next, 1.5 equivalents of I 2 and 4 ml of aqueous ammonia were added, and the mixture was stirred at room temperature for 2 hours.

10
coumarilic acid amide [ No CAS ]
[ 41717-32-2 ]

Reference： [1]Chemische Berichte,1901,vol. 34,p. 774

11
[ 41717-32-2 ]
[ 107-15-3 ]
[ 72583-92-7 ]

Reference： [1]Synthesis,2000,p. 1814 - 1816
[2]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 585 - 592

12
[ 41717-32-2 ]
[ 106-49-0 ]
N²-(4-Methylphenyl)benzo[b]furan-2-carboximidamide [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2001,p. 680 - 689

13
[ 41717-32-2 ]
[ 62-53-3 ]
[ 72583-88-1 ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2001,p. 680 - 689

14
[ 4265-16-1 ]
[ 41717-32-2 ]

Yield	Reaction Conditions	Operation in experiment
80%	With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium perchlorate; acetic acid; lithium hexamethyldisilazane; In acetonitrile; for 15h;Electrochemical reaction;	General procedure: Preparative electrolysis experiments were performed using 263 APotentiostat/Galvanostat (Princeton Applied Research, USA). 0.1 MNaClO4-CH3CN solution (10 mL) containing aldehydes (1 mmol),TEMPO (0.1 mmol), HMDS (2.5mmol) and AcOH (2.5mmol) was electrolyzedwith stirring in an undivided cell (30 mL) equipped with twoplatinum sheets as anode (1.5 cm2) and cathode (3.0 cm2) respectivelyat a constant potential of 1.5 V vs Ag/Ag+ (0.1MAgNO3 in acetonitrile).The electrode separation was 1 cm. When the reaction was finished,10mL of saturatedNa2SO3 solution was added into the reactionmixtureand stirred for 15 min. Then the mixture was extracted with CH2Cl2(20 mL × 3). The organic layer was dried with anhydrous Na2SO4 andconcentrated in a rotary evaporator. The productswere obtained via purificationof column chromatography and their structures were confirmedby 1H NMR, 13C NMR and MS. NMR was performed on a BrukerAvance III spectrometer. GC-MS was performed on the Thermo TraceISQ instrument with TG 5MS capillary column.
77%	With trifluorormethanesulfonic acid; trimethylsilylazide; In acetonitrile; at 20℃; for 0.333333h;Sealed tube; Inert atmosphere;	General procedure: To a solution of an aromatic aldehyde 1 (0.500 mmol, 1.0 equiv) and TMSN3 (115 mg, 1.00 mmol,2.0 equiv) in a premixed HFIP/ACN mixture (2.0 mL, 1:1) in a nitrogen-flushed two dram vial wasadded triflic acid (TfOH; 17.7 L, 0.200 mmol, 0.40 equiv) (exotherm and brisk effervescence due tonitrogen gas evolution was immediately observed). The vial was capped and the reaction mixture wasallowed to stir at rt for 20-75 min. The reaction mixture was concentrated under nitrogen. The residueobtained was suspended in CH2Cl2/hexanes mixture and loaded on a silica gel in a 5 g samplecartridge. Purification using a normal phase silica flash column on a CombiFlash purification systemafforded a corresponding aromatic nitrile 2 upon concentration of appropriate fractions.
72%	With tert.-butylhydroperoxide; ammonium acetate; iodine; sodium carbonate; In ethanol; at 50℃; for 5h;	In a 25 mL two-necked round bottom flask equipped with a thermometer and a magnetic stirrer4 mmolofBenzofuran-2-carbaldehyde (1-19), 6 mmol of NH4OAc, 4 mmol of Na2CO3, 4.4 mmol of TBHP, 0.1 mmol of I2, 5 mL of absolute ethanol Solvent, followed by placing the reaction flask in an oil bath preheated to 50 C and opening the magnetic stirrer for 5 h. The reaction solution By adding sodium thiosulfate solution, stirring, and then extracting with ether, separating the organic layer, and removing the solvent under reduced pressure, The eluate was collected with the mixture of ethyl acetate / petroleum ether in a volume ratio of 1: 100 as the eluent, and the eluate containing the target compound was collected. The solvent was distilled off to give benzofuran-2-carbonitrile with an isolated yield of 72%.

Reference： [1]Electrochimica Acta,2017,vol. 226,p. 53 - 59
[2]Journal of the Chemical Society. Perkin Transactions 1 (2001),2001,p. 680 - 689
[3]Electrochemistry Communications,2016,vol. 64,p. 51 - 55
[4]Molecules,2016,vol. 21
[5]Advanced Synthesis and Catalysis,2016,vol. 358,p. 1157 - 1163
[6]RSC Advances,2017,vol. 7,p. 1484 - 1489
[7]Patent: CN106748881,2017,A .Location in patent: Paragraph 0051
[8]Tetrahedron Letters,2011,vol. 52,p. 1074 - 1077
[9]Synlett,2011,p. 2223 - 2227
[10]Angewandte Chemie - International Edition,2015,vol. 54,p. 4241 - 4245
[11]Patent: WO2008/154026,2008,A1
[12]Journal of Organic Chemistry,2019,vol. 84,p. 5803 - 5812
[13]European Journal of Organic Chemistry,2019,vol. 2019,p. 3190 - 3194

15
[ 41717-32-2 ]
[ 65847-73-6 ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2001,p. 680 - 689

16
[ 41717-32-2 ]
[ 350692-34-1 ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2001,p. 680 - 689

17
[ 41717-32-2 ]
N¹-(N-Phenylcarbamoyl)-N²-(phenyl)benzo[b]furan-2-carboximidamide [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2001,p. 680 - 689

18
[ 41717-32-2 ]
2-Phenylamino-4-(benzo[b]furan-2-yl)benzo[4,5]furo[2,3-d]pyrimidine [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2001,p. 680 - 689

19
[ 41717-32-2 ]
LSL 60101 [ No CAS ]

Reference： [1]Synthesis,2000,p. 1814 - 1816

20
[ 41717-32-2 ]
5-hydroxy-2-(1'-hydroxy-5'-methyl-4'-hexenyl)benzofuran [ No CAS ]

Reference： [1]Journal of Natural Products,1997,vol. 60,p. 1214 - 1215

21
[ 41717-32-2 ]
2-(6,6-Dimethyl-5,6-dihydro-4H-pyran-2-yl)-benzofuran-5-ol [ No CAS ]

Reference： [1]Journal of Natural Products,1997,vol. 60,p. 1214 - 1215

22
[ 41717-32-2 ]
[ 13141-47-4 ]

Reference： [1]Annales de Chimie (Cachan, France),1942,vol. <11> 17,p. 335,346

23
[ 41717-32-2 ]
[ 220087-23-0 ]

Reference： [1]Annales de Chimie (Cachan, France),1942,vol. <11> 17,p. 335,346

24
[ 41717-32-2 ]
1-benzofuran-2-yl-propan-1-one semicarbazone [ No CAS ]

Reference： [1]Annales de Chimie (Cachan, France),1942,vol. <11> 17,p. 335,346

25
[ 41717-32-2 ]
1-benzofuran-2-yl-propan-1-one-(2,4-dinitro-phenylhydrazone) [ No CAS ]

Reference： [1]Annales de Chimie (Cachan, France),1942,vol. <11> 17,p. 335,346

Yield	Reaction Conditions	Operation in experiment
		PREPARATION 143(1) 2-Cyanobenzofuran (402 mg) was obtained as an oil from benzofuran-2-carboxamide (500 mg) in a manner similar to Preparation 131(5). NMR (CDCl3, delta): 7.37 (1H, t, J=8 Hz), 7.43-7.60 (3H, m), 7.69 (1H, d, J=8 Hz).

27
[ 41717-32-2 ]
[ 81882-18-0 ]
[ 108439-67-4 ]

Yield	Reaction Conditions	Operation in experiment
		PREPARATION 143(2) 2-(Aminomethyl)benzofuran hydrochloride (333 mg) was obtained as pale yellow powders from <strong>[41717-32-2]2-cyanobenzofuran</strong> (400 mg) in a manner similar to Preparation 131(6). NMR (DMSO-d6, delta): 4.23 (2H, s), 7.03 (1H, s), 7.28 (1H, t, J=8 Hz), 7.35 (1H, t, J=8 Hz), 7.60 (1H, d, J=8 Hz), 7.69 (1H, d, J=8 Hz), 8.62 (3H, br).

Reference： [1]Patent: US6384080,2002,B1

28
[ 50342-50-2 ]
[ 41717-32-2 ]

Yield	Reaction Conditions	Operation in experiment
68%	With phosphorus pentaoxide; In toluene;	c) preparation of 2-cyanobenzofuran Phosphorus pentoxide (86 g) was added to a suspension of benzofuran-2-carboxamide (17.8 g) in anhydrous toluene (500 ml) and the mixture was refluxed for 3 hours. After cooling the supernating solution was decanted off and the resulting residue extracted with toluene. The combined toluene fractions were evaporated to leave the cyano compound as an oil (10.7 g, 68%). IR: (NaCl): 2231 cm-1 1 H-NMR (DMSO-d6): 7.45 (t,1H), 7.55 (t,1H), 7.75 (d,1H), 7.85 (d,1H), 8.10 (s,1H).

Reference： [1]Patent: US5310930,1994,A

29
[ 41717-32-2 ]
methyl benzofurancarboximidate hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; ethereal HCl;	d) preparation of methyl benzofuran-2-carboximidate hydrochloride 2-Cyanobenzofuran (10.7 g) was dissolved in ethereal HCl (150 ml, 5M) and methanol (12 ml). The resulting mixture was kept at 4 C. for 48 hours. The resulting solid was filtered, washed with ether and dried (13.4 g, 85%). 1 H-NMR (DMSO-d6): 4.30 (s,3H), 7.50 (t,1H), 7.70 (t,1H), 7.80 (d,1H), 7.90 (d,1H), 8.40 (s,1H).

Reference： [1]Patent: US5310930,1994,A

30
[ 125418-83-9 ]
[ 41717-32-2 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In water; N,N-dimethyl-formamide;	Reference Example 2 Benzofuran-2-carbonitrile Potassium carbonate (65.2 g) was added to a DMF solution (500 ml) of (2-formylphenyl)oxyacetonitrile (38 g), which was stirred at 60 C. for 2.5 hours. Water was added to the reaction mixture, which was extracted with diethyl ether. The organic layer was washed with water and a saturated aqueous sodium chloride solution, then dried and concentrated. The residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate=10/1) to obtain the entitled compound (14.5 g). m.p. 30-33 C. (Solvent for recrystallization hexane).

Reference： [1]Patent: US6329389,2001,B1

31
[ 114354-16-4 ]
[ 41717-32-2 ]

Yield	Reaction Conditions	Operation in experiment
	With acetic anhydride; triethylamine; at 0 - 90℃;	Experimentalbenzofuran-2-carbonitrilePyridine (5.4 Ig, 0.0684 mol) was added to a stirred solution of 2- benzofurancarboxaldehyde (5 g, 34.2 mmol) in ethanol (100 ml) and hydroxyl amine HCl (2.83 g, 41 mmol) at RT. The mixture was heated at 90 C for 2 h until completion, cooled to rt, then concentrated. The resulting residue was taken up with water (200 ml), and extracted with EtOAc (3x200 ml), washed with brine (100 ml), dried (Na2SO4) and concentrated to afford benzofuran-2-oxime product (5.5 g, 99.8 %) as a yellow liquid. Rf; 0.7 (Pet ether: EtOAc; 9.5:0.5). This product was converted to the nitrile without further purification. Acetic anhydride (3.8 g, 37.3 mmol) was added to a stirred solution of benzofuran-2-oxime (5.5 g, 186 mmol) in triethylamine (25 ml) over a period of 15 min at 0 C, and heated at 90 0C for 2 h. When the reaction was complete, it was cooled to RT, quenched with water (100 ml), extracted with ethyl acetate (2x100 ml), washed with brine (50 ml), dried (Na2SO4), and concentrated to afford crude benzofuran-2-carbonitrile (4.2 g, 87.5 %) as a pale yellow solid. Rf: 0.8 (Pet ether: EtOAc; 9:1). 1H NMR (300 MHz, CDCl3): delta 7.6 (d, IH, J= 6Hz); delta 7.59-7.35 (m, 4H).

Reference： [1]RSC Advances,2014,vol. 4,p. 4181 - 4186
[2]Journal of Organic Chemistry,2009,vol. 74,p. 3079 - 3084
[3]Chemical Communications,2019,vol. 55,p. 9701 - 9704
[4]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 3128 - 3135
[5]Synlett,2011,p. 2223 - 2227
[6]Patent: WO2008/154026,2008,A1 .Location in patent: Page/Page column 75; 76
[7]Journal of Organic Chemistry,2019,vol. 84,p. 5803 - 5812
[8]European Journal of Organic Chemistry,2019,vol. 2019,p. 3190 - 3194

32
[ 41717-32-2 ]
[ 23708-47-6 ]
[ 1222098-24-9 ]

Reference： [1]European Journal of Organic Chemistry,2010,p. 1574 - 1578

33
[ 1137881-68-5 ]
[ 41717-32-2 ]

Reference： [1]Organic Letters,2010,vol. 12,p. 2888 - 2891

34
[ 271-89-6 ]
[ 68-12-2 ]
[ 41717-32-2 ]

Yield	Reaction Conditions	Operation in experiment
70%		General procedure: n-Butyllithium (1.67 M solution in hexane, 2.9 mL, 4.8 mmol) was added dropwise into a solution of 1,3-dimethoxybenzene (0.55 g, 4.0 mmol) in THF (5 mL) at 0 C and the mixture was stirred for 2 h at the same temperature. Then, DMF (0.34 mL, 4.4 mmol) was added to the mixture and the obtained mixture was stirred at 0 C. After 2 h at the same temperature, aq NH3 (8 mL, 120 mmol) and I2 (1.12 g, 4.4 mmol) were added and stirred for 2 h at rt. The reaction mixture was quenched with satd aq Na2SO3 (15 mL) and was extracted with Et2O (3×20 mL). The organic layer was washed with brine and dried over Na2SO4 to provide 2,6-dimethoxybenzonitrile in over 80% purity. The product was purified by a short column chromatography on silica gel (Hexane/EtOAc=3:1) to give pure 2,6-dimethoxybenzonitrile in 91% yield as a colorless solid.
24%		General procedure: To an ice cooled solution of DMF (4.4 mmol) was added dropwise Tf2O (4.4 mmol) in a screw-capped glass vial (10 mL). The solution was stirred for 0.5 h at 0 C.Then, 1,3,5-trimethylbenzene (240.4 mg, 2 mmol) in DMF (1.0 ml) was added dropwise. After being stirred for 65 h at 120-130 C, I2 (1015.2 mg, 4 mmol), aq NH3 (4 mL, 28-30%), and THF (1 mL) were added to the reaction mixture, and the obtained mixture was stirred for 3 h at rt. After the reaction, the mixture was poured into aq satd Na2SO3 solution and extracted with CHCl3 (3×20 mL). The organic layer was dried over Na2SO4, filtered, and evaporated. The product was purified by flash short column chromatography (Hexane:AcOEt=9:1) to give 2,4,6-trimethylbenzonitrile as a white solid in 52% yield.

Reference： [1]Synlett,2010,p. 1562 - 1566
[2]Tetrahedron,2011,vol. 67,p. 958 - 964
[3]Tetrahedron,2012,vol. 68,p. 4588 - 4595

35
Benzofuran-2-carbaldehyde oxime [ No CAS ]
[ 41717-32-2 ]

Yield	Reaction Conditions	Operation in experiment
95%	With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In tetrahydrofuran; ethyl acetate; at 20℃;Inert atmosphere;	To a solution of aldoxime (0.01 mol) in THF (10 mL) was added T3P (15 mol %, 50% soln in EtOAc) and the resulting reaction mixture was stirred at room temperature for 1-2 h under nitrogen atmosphere. When the reaction was completed as confirmed by TLC, the solvent was removed under vacuum and the residue was diluted with water (20 mL). The product was extracted with ethyl acetate (2 × 20 mL) and the combined organic phase was washed with saturated NaHCO3 solution (1 × 10 mL) and brine. The organic phase was dried over anhydrous Na2SO4. The solvent was removed under reduced pressure to afford the desired nitriles in good purity.

Reference： [1]Tetrahedron Letters,2011,vol. 52,p. 1074 - 1077

36
[ 546115-07-5 ]
[ 41717-32-2 ]
2-(benzofuran-2-yl)benzo[d]oxazole [ No CAS ]

Reference： [1]Journal of the Chinese Chemical Society,2011,vol. 58,p. 301 - 305

37
[ 4265-16-1 ]
[ 90-04-0 ]
[ 41717-32-2 ]
2-(benzofuran-2-yl)benzo[d]oxazole [ No CAS ]

Reference： [1]Journal of the Chinese Chemical Society,2011,vol. 58,p. 301 - 305

38
[ 773837-37-9 ]
[ 54008-77-4 ]
[ 41717-32-2 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 4172 - 4178

39
[ 54008-77-4 ]
copper(l) cyanide [ No CAS ]
[ 41717-32-2 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 4172 - 4178

40
[ 54008-77-4 ]
potassium hexacyanoferrate(III) [ No CAS ]
[ 41717-32-2 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 4172 - 4178

41
[ 54008-77-4 ]
potassium ferrocyanide [ No CAS ]
[ 41717-32-2 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 4172 - 4178

42
[ 41717-32-2 ]
[ 137-07-5 ]
[ 69976-47-2 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 4172 - 4178

43
[ 1378942-55-2 ]
[ 41717-32-2 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 4172 - 4178
[2]Organic and Biomolecular Chemistry,2012,vol. 10,p. 4172 - 4178
[3]Organic and Biomolecular Chemistry,2012,vol. 10,p. 4172 - 4178
[4]Organic and Biomolecular Chemistry,2012,vol. 10,p. 4172 - 4178

44
[ 91703-34-3 ]
[ 41717-32-2 ]

45
[ 41717-32-2 ]
benzofuran-2-carboxamidine [ No CAS ]

Reference： [1]Patent: WO2008/154026,2008,A1

46
[ 41717-32-2 ]
[ 1093110-73-6 ]

Reference： [1]Patent: WO2008/154026,2008,A1

47
[ 41717-32-2 ]
[ 1093110-74-7 ]

Reference： [1]Patent: WO2008/154026,2008,A1

48
[ 41717-32-2 ]
[ 1093110-75-8 ]

Reference： [1]Patent: WO2008/154026,2008,A1

49
[ 41717-32-2 ]
[ 1093108-67-8 ]

Reference： [1]Patent: WO2008/154026,2008,A1

50
[ 41717-32-2 ]
[ 1093108-81-6 ]

Reference： [1]Patent: WO2008/154026,2008,A1

51
[ 41717-32-2 ]
[ 64-17-5 ]
[ 59848-35-0 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; In toluene; at 0 - 20℃;	benzofuran-2-ethyl amidate HCI saltAbsolute ethanol (14.88 ml, 26.4 mmol) was added to an ice cooled stirred solution of <strong>[41717-32-2]benzofuran-2-carbonitrile</strong> (4.2 g, 29.3 mmol) in toluene (40 ml). Dry HCl gas was purged to the reaction mixture for 2 h at 0 C, and continued stirring at RT for 36 h until complete. The reaction mixture was concentrated under vacuum at 40 C, and washed with pet ether (100 ml) and dried under vacuum for 1O h to afford benzofuran-2-ethyl ami date HCl salt (5 g, 91 %) as a off white solid. Rf; 0.4 (Pet ether: EtOAc; 8:2). 1H NMR (300 MHz, DMSO-Cl6): delta 8.35 (s, IH), 8.1 (d, IH, J= 7.8 Hz), 7.79-7.31 (m, 4H), 4.66 (q, 2 H, J= 7 Hz), 1.47 (t, 3H, J= 7Hz). M/e (M+l): 190.

Reference： [1]Patent: WO2008/154026,2008,A1 .Location in patent: Page/Page column 76

52
[ 99595-77-4 ]
[ 41717-32-2 ]

Reference： [1]Synthesis,2013,vol. 45,p. 2155 - 2164

53
[ 98437-24-2 ]
[ 140-29-4 ]
[ 41717-32-2 ]

Yield	Reaction Conditions	Operation in experiment
42%	With tert.-butylhydroperoxide; copper(l) iodide; In N,N-dimethyl acetamide; water; at 130℃; for 20h;	General procedure: Boronic acid 1 (0.5mmol), benzyl cyanide 2 (0.75mmol), CuI (95mg, 0.5mmol), tert-BuOOH (70% aq, 144muL, 1mmol), and DMAc (2mL) were placed in a 25mL round flask. The reaction mixture was stirred at 130C (oil bath) for 20h under air. After cooling to the room temperature, the resulting mixture was poured to 15mL water and extracted with dichloromethane (3×5mL). The organic phase was combined and dried over anhydrous Na2SO4. Dichloromethane was evaporated under reduced pressure and the residue was purified by flash column chromatography on a silica gel to give the product 3.

Reference： [1]Tetrahedron,2013,vol. 69,p. 8400 - 8404

54
[ 123226-39-1 ]
[ 41717-32-2 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 3876 - 3879
[2]Organic Letters,2014,vol. 16,p. 2297 - 2297

55
[ 123226-39-1 ]
[ 41717-32-2 ]
[ 24889-97-2 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 3876 - 3879

56
[ 123226-39-1 ]
[ 41717-32-2 ]
[ 125418-83-9 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 3876 - 3879
[2]Organic Letters,2013,vol. 15,p. 3876 - 3879

57
[ 496-41-3 ]
[ 41717-32-2 ]

Reference： [1]European Journal of Organic Chemistry,2013,p. 5886 - 5892
[2]Organic Letters,2019,vol. 21,p. 6779 - 6784

58
[ 3199-61-9 ]
[ 41717-32-2 ]

Reference： [1]European Journal of Organic Chemistry,2013,p. 5886 - 5892
[2]Angewandte Chemie - International Edition,2015,vol. 54,p. 4241 - 4245
[3]Advanced Synthesis and Catalysis,2016,vol. 358,p. 1157 - 1163

59
[ 271-89-6 ]
(3,5-bis(trifluoromethyl)phenyl)(cyano)-l3-iodanyl trifluoromethanesulfonate [ No CAS ]
[ 41717-32-2 ]

Reference： [1]Angewandte Chemie - International Edition,2014,vol. 53,p. 2186 - 2189
Angew. Chem.,2014,vol. 53,p. 2218 - 2221,4

60
[ 557-21-1 ]
[ 54008-77-4 ]
[ 41717-32-2 ]

Reference： [1]Organic Letters,2015,vol. 17,p. 202 - 205

61
C₁₂H₁₅NOSi [ No CAS ]
[ 41717-32-2 ]

Reference： [1]Angewandte Chemie - International Edition,2015,vol. 54,p. 4241 - 4245

62
[ 55038-01-2 ]
[ 41717-32-2 ]

Reference： [1]Angewandte Chemie - International Edition,2015,vol. 54,p. 4241 - 4245
[2]Advanced Synthesis and Catalysis,2016,vol. 358,p. 1157 - 1163
[3]European Journal of Organic Chemistry,2019,vol. 2019,p. 3190 - 3194

63
[ 90-02-8 ]
[ 41717-32-2 ]

Reference： [1]Angewandte Chemie - International Edition,2015,vol. 54,p. 4241 - 4245
[2]Advanced Synthesis and Catalysis,2016,vol. 358,p. 1157 - 1163

64
[ 41717-32-2 ]
N-hydroxybenzofuran-2-carboximidamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
89%	With hydroxylamine hydrochloride; potassium carbonate; In methanol; at 20℃;	To a solution of <strong>[41717-32-2]benzofuran-2-carbonitrile</strong> (1 g, 6.99 mmol) and hydroxylamine hydrochloride (1.46 g, 21.0 mmol) in anhydrous MeOH (20 mL) was added potassium carbonate (2.90 g, 21.0 mmol) at room temperature and the reaction was stirred at room temperature overnight. On completion, the mixture was filtered and washed with methanol. The filtrate was concentrated under reduced pressure to give compound A-104 (1.1 g, 89% yield) as a white solid. LCMS: (ES+) m/z (M+H)+ = 176.9, tR=1.044.

Reference： [1]Patent: WO2015/66371,2015,A1 .Location in patent: Paragraph 00186-00187

65
[ 41717-32-2 ]
(+/-)-3-(benzofuran-2-yl)-4H-1'-azaspiro[[1,2,4]oxadiazole-5,3'-bicyclo[2.2.2]octane] [ No CAS ]

Reference： [1]Patent: WO2015/66371,2015,A1

66
[ 41717-32-2 ]
(R)-3-(benzofuran-2-yl)-4H-1'-azaspiro[[1,2,4]oxadiazole-5,3'-bicyclo[2.2.2]octane] hydrochloride [ No CAS ]
(S)-3-(benzofuran-2-yl)-4H-1'-azaspiro[[1,2,4]oxadiazole-5,3'-bicyclo[2.2.2]octane] hydrochloride [ No CAS ]

Reference： [1]Patent: WO2015/66371,2015,A1

67
[ 98437-24-2 ]
[ 75-05-8 ]
[ 41717-32-2 ]

Reference： [1]Chemistry - A European Journal,2015,vol. 21,p. 13246 - 13252

68
[ 39165-03-2 ]
[ 41717-32-2 ]

Reference： [1]Organic Letters,2016,vol. 18,p. 860 - 863

69
[ 54008-77-4 ]
[ 41717-32-2 ]

Reference： [1]Organic Letters,2016,vol. 18,p. 860 - 863

70
[ 1646-26-0 ]
[ 41717-32-2 ]

Reference： [1]Organic and Biomolecular Chemistry,2016,vol. 14,p. 6687 - 6690

71
[ 67-56-1 ]
[ 4265-16-1 ]
[ 41717-32-2 ]
[ 72583-86-9 ]

Reference： [1]Catalysis science and technology,2016,vol. 6,p. 7429 - 7436

72
[ 41717-32-2 ]
[ 247568-34-9 ]
N-(3-Ethoxy-4-methoxybenzyl)-2-(cis-4-hydroxycyclohexylamino)-5-nitrobenzamide [ No CAS ]

Reference： [1]Patent: US6384080,2002,B1

73
[ 41717-32-2 ]
[ 247566-96-7 ]

Reference： [1]Patent: US6384080,2002,B1

74
[ 41717-32-2 ]
[ 247567-01-7 ]

Reference： [1]Patent: US6384080,2002,B1

75
[ 41717-32-2 ]
[ 247566-86-5 ]

Reference： [1]Patent: US6384080,2002,B1

76
[ 41717-32-2 ]
[ 247566-87-6 ]

Reference： [1]Patent: US6384080,2002,B1

77
[ 41717-32-2 ]
[ 247566-83-2 ]

Reference： [1]Patent: US6384080,2002,B1

78
[ 41717-32-2 ]
[ 247566-85-4 ]

Reference： [1]Patent: US6384080,2002,B1

79
[ 41717-32-2 ]
[ 247568-38-3 ]

Reference： [1]Patent: US6384080,2002,B1

80
[ 41717-32-2 ]
[ 247566-81-0 ]

Reference： [1]Patent: US6384080,2002,B1

81
[ 41717-32-2 ]
[ 247566-91-2 ]

Reference： [1]Patent: US6384080,2002,B1

82
[ 41717-32-2 ]
[ 247567-05-1 ]

Reference： [1]Patent: US6384080,2002,B1

83
[ 41717-32-2 ]
[ 247568-37-2 ]

Reference： [1]Patent: US6384080,2002,B1

84
[ 41717-32-2 ]
[ 247566-89-8 ]

Reference： [1]Patent: US6384080,2002,B1

85
[ 41717-32-2 ]
[ 247566-88-7 ]

Reference： [1]Patent: US6384080,2002,B1

86
[ 41717-32-2 ]
[ 247568-36-1 ]

Reference： [1]Patent: US6384080,2002,B1

87
[ 41717-32-2 ]
N-(Benzofuran-2-ylmethyl)-2-(cis-4-hydroxycyclohexylamino)-5-nitrobenzamide [ No CAS ]

Reference： [1]Patent: US6384080,2002,B1

88
[ 41717-32-2 ]
[ 247568-46-3 ]

Reference： [1]Patent: US6384080,2002,B1

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P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
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P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
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P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
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P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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P370 + P376	In case of fire: Stop leak if safe to Do so.
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Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

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H200	Unstable explosive
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H202	Explosive; severe projection hazard
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Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
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H316	Causes mild skin irritation
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H320	Causes eye irritation
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H332	Harmful if inhaled
H333	May be harmful if inhaled
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H361d	Suspected of damaging the unborn child
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H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
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Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 41717-32-2 ] {[proInfo.proName]}

Quality Control of [ 41717-32-2 ]

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Water Solubility

Medicinal Chemistry

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[ 41717-32-2 ] Synthesis Path-Downstream 1~88

Related Functional Groups of [ 41717-32-2 ]

Nitriles

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Benzofurans

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[ 41717-32-2 ]

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[ 41717-32-2 ]